(10-thiophen-2-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)hydrazine

C13H12N4S2 — CID 62250836

IUPAC(10-thiophen-2-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)hydrazine
SMILESNNc1nc(-c2cccs2)nc2sc3c(c12)CCC3
InChIInChI=1S/C13H12N4S2/c14-17-12-10-7-3-1-4-8(7)19-13(10)16-11(15-12)9-5-2-6-18-9/h2,5-6H,1,3-4,14H2,(H,15,16,17)
InChIKeyXMMHIJVAGXZNIG-UHFFFAOYSA-N
MW288.40 g/mol
LogP3.19
Rot. Bonds2

About (10-thiophen-2-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)hydrazine

(10-thiophen-2-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)hydrazine (PubChem CID 62250836) has the molecular formula C13H12N4S2 and a molecular weight of 288.40 g/mol. Its IUPAC name is (10-thiophen-2-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)hydrazine.

Molecular Properties

Compound Name(10-thiophen-2-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)hydrazine
PubChem CID62250836
Molecular FormulaC13H12N4S2
Molecular Weight288.40 g/mol
Exact Mass288.05
IUPAC Name(10-thiophen-2-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)hydrazine
SMILESNNc1nc(-c2cccs2)nc2sc3c(c12)CCC3
InChIInChI=1S/C13H12N4S2/c14-17-12-10-7-3-1-4-8(7)19-13(10)16-11(15-12)9-5-2-6-18-9/h2,5-6H,1,3-4,14H2,(H,15,16,17)
InChIKeyXMMHIJVAGXZNIG-UHFFFAOYSA-N
XLogP3.19
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (10-thiophen-2-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)hydrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10-thiophen-2-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)hydrazine?
The IUPAC name of (10-thiophen-2-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)hydrazine (CID 62250836) is (10-thiophen-2-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)hydrazine.
What is the SMILES notation for (10-thiophen-2-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)hydrazine?
The canonical SMILES for (10-thiophen-2-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)hydrazine is NNc1nc(-c2cccs2)nc2sc3c(c12)CCC3.
What is the InChIKey of (10-thiophen-2-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)hydrazine?
The InChIKey is XMMHIJVAGXZNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S2/c14-17-12-10-7-3-1-4-8(7)19-13(10)16-11(15-12)9-5-2-6-18-9/h2,5-6H,1,3-4,14H2,(H,15,16,17).
What are the key properties of (10-thiophen-2-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)hydrazine?
(10-thiophen-2-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)hydrazine has a molecular weight of 288.40 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (10-thiophen-2-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)hydrazine is sourced from PubChem (CID 62250836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).